Ethyl Acetate → tert-butyl N-[4-[[1-(4-chlorophenyl)-3-(diethylamino)propyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

HRID 1236198Notes

Reaction equation

HRID 1236198 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[NH:24][C:25]1([C:40](=[O:41])[OH:42])[CH2:26][CH2:27][N:28]([c:31]2[c:32]3[c:33]([n:34][cH:35][n:36]2)[nH:37][cH:38][cH:39]3)[CH2:29][CH2:30]1.[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[NH2:16])[cH:6][cH:7]1.[P-:52]([F:53])([F:54])([F:55])([F:56])([F:57])[F:58].[n:59]1([O:60][C:61]([N:62]([CH3:63])[CH3:64])=[N+:65]([CH3:66])[CH3:67])[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15])[NH:16][C:40]([C:25]2([NH:24][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:26][CH2:27][N:28]([c:31]3[c:32]4[c:33]([n:34][cH:35][n:36]3)[nH:37][cH:38][cH:39]4)[CH2:29][CH2:30]2)=[O:41])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 577503944-((tert-Butoxycarbonyl)amino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acidHCID 62643561HCID 62643561, compound

Product 1

HCID 66674204tert-butyl N-[4-[[1-(4-chlorophenyl)-3-(diethylamino)propyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

Sources & evidence

ORD record
ord-cb2f7f87e2ca45fbaf6e1a9e05d4205d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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